2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

C16H15NO2S — CID 14244691

IUPAC2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc(C2Sc3ccccc3N(C)C2=O)cc1
InChIInChI=1S/C16H15NO2S/c1-17-13-5-3-4-6-14(13)20-15(16(17)18)11-7-9-12(19-2)10-8-11/h3-10,15H,1-2H3
InChIKeyWVXYQBUGDWEFFE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.51
Rot. Bonds2

About 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one (PubChem CID 14244691) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
PubChem CID14244691
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCOc1ccc(C2Sc3ccccc3N(C)C2=O)cc1
InChIInChI=1S/C16H15NO2S/c1-17-13-5-3-4-6-14(13)20-15(16(17)18)11-7-9-12(19-2)10-8-11/h3-10,15H,1-2H3
InChIKeyWVXYQBUGDWEFFE-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 13375165
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 51057199
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
4-methyl-2-[4-[5-[methyl-[(2,3,4-trimethoxyphenoxy)methyl]amino]pentoxy]phenyl]-1,4-benzothiazin-3-one;hydrochloride
CID 21284328
2-[4-[4-[2-(2-fluorophenoxy)ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one
CID 21284309
2-[2-[3-(2-aminoethylamino)propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
CID 139718962
2-[2-[2-[2-aminoethyl(methyl)amino]ethoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
CID 139718977
2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one;hydrochloride
CID 21284332
2-[4-[2-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]ethoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one;oxalic acid
CID 14098994
2-(4-methoxyphenyl)-5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 4145870
4-chloro-7-(4-methoxyphenyl)-5-phenyl-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 11058915
2-[2-[2-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]ethoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
CID 14098979

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one (CID 14244691) is 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one is COc1ccc(C2Sc3ccccc3N(C)C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The InChIKey is WVXYQBUGDWEFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17-13-5-3-4-6-14(13)20-15(16(17)18)11-7-9-12(19-2)10-8-11/h3-10,15H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one has a molecular weight of 285.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 14244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).